(E,7S)-7-methoxyoct-4-en-1-amine

C9H19NO — CID 163936478

IUPAC(E,7S)-7-methoxyoct-4-en-1-amine
SMILESCO[C@@H](C)C/C=C/CCCN
InChIInChI=1S/C9H19NO/c1-9(11-2)7-5-3-4-6-8-10/h3,5,9H,4,6-8,10H2,1-2H3/b5-3+/t9-/m0/s1
InChIKeyRNGILCOTXJCKPV-SGRBOOSSSA-N
MW157.26 g/mol
LogP1.71
Rot. Bonds6

About (E,7S)-7-methoxyoct-4-en-1-amine

(E,7S)-7-methoxyoct-4-en-1-amine (PubChem CID 163936478) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (E,7S)-7-methoxyoct-4-en-1-amine.

Molecular Properties

Compound Name(E,7S)-7-methoxyoct-4-en-1-amine
PubChem CID163936478
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(E,7S)-7-methoxyoct-4-en-1-amine
SMILESCO[C@@H](C)C/C=C/CCCN
InChIInChI=1S/C9H19NO/c1-9(11-2)7-5-3-4-6-8-10/h3,5,9H,4,6-8,10H2,1-2H3/b5-3+/t9-/m0/s1
InChIKeyRNGILCOTXJCKPV-SGRBOOSSSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,7S)-7-methoxyoct-4-en-1-amine?
The IUPAC name of (E,7S)-7-methoxyoct-4-en-1-amine (CID 163936478) is (E,7S)-7-methoxyoct-4-en-1-amine.
What is the SMILES notation for (E,7S)-7-methoxyoct-4-en-1-amine?
The canonical SMILES for (E,7S)-7-methoxyoct-4-en-1-amine is CO[C@@H](C)C/C=C/CCCN.
What is the InChIKey of (E,7S)-7-methoxyoct-4-en-1-amine?
The InChIKey is RNGILCOTXJCKPV-SGRBOOSSSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(11-2)7-5-3-4-6-8-10/h3,5,9H,4,6-8,10H2,1-2H3/b5-3+/t9-/m0/s1.
What are the key properties of (E,7S)-7-methoxyoct-4-en-1-amine?
(E,7S)-7-methoxyoct-4-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-7-methoxyoct-4-en-1-amine is sourced from PubChem (CID 163936478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).